SCHEMBL9732188

SCHEMBL9732188

C=C(C#N)c1c(-c2ccc(F)cc2)cn(S(=O)(=O)c2cccs2)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
GPR183 P32249 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
PTGS2 P35354 5/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS1 P23219 2/20 0.31
BRD4 O60885 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9024469 0.80 PKM (0.38) PKMSMN1; SMN2GPR183ALDH1A1MAPT
SCHEMBL9024104 0.75 PKM (0.39) PKMSMN1; SMN2GPR183ALDH1A1MAPT
SCHEMBL9024101 0.75 PKM (0.39) PKMSMN1; SMN2GPR183ALDH1A1MAPT
SCHEMBL9750874 0.73 HMGCR (0.41) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9025069 0.69 HMGCR (0.57) ALDH1A1PTGS2CYP3A4CYP2C9
SCHEMBL9025064 0.69 HMGCR (0.57) ALDH1A1PTGS2CYP3A4CYP2C9
SCHEMBL9750803 0.68 HMGCR (0.49) POLB
SCHEMBL9024600 0.67 HMGCR (0.43) PKMGPR183KMT2A
SCHEMBL9024612 0.67 HMGCR (0.43) PKMGPR183KMT2A
SCHEMBL9025301 0.65 GAA (0.34) ALDH1A1KDM4EPTGS2PTGS1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128366-A Enzyme inhibitors, anticholesterol SHINOGI & CO., LTD. (JP) 1992-07-07 US disclosed